Interrogation of Bacillus anthracis SrtA active site loop forming open/close lid conformations through extensive MD simulations for understanding binding selectivity of SrtA inhibitors

Interrogation of Bacillus anthracis SrtA active site loop forming open/close lid conformations through extensive MD simulations for understanding binding selectivity of SrtA inhibitors

Bacillus anthracis is a gram positive, deadly spore forming bacteria causing anthrax and these bacteria having the complex mechanism in the cell wall envelope, which can adopt the changes in environmental conditions. In this, the membrane bound cell wall proteins are said to progressive drug target...

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Bibliographic Details
Main Authors: Chandrabose Selvaraj, Gurudeeban Selvaraj, Randa Mohamed Ismail, Rajendran Vijayakumar, Alaa Baazeem, Dong-Qing Wei, Sanjeev Kumar Singh
Format: Article
Language:English
Published: Elsevier 2021-07-01
Series:Saudi Journal of Biological Sciences
Subjects:
Bacillus anthracis
Cell adhesion
Molecular dynamics
Pharmacophore modelling
Sortase
QSAR
Online Access:http://www.sciencedirect.com/science/article/pii/S1319562X21003727

Internet

http://www.sciencedirect.com/science/article/pii/S1319562X21003727

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